douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

Home Page:https://crates.io/crates/pdbtbx

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Generate data appropriate to strictnesslevel in save

douweschulte opened this issue · comments

Based on the strictnesslevel different records should be omitted. I propose to only give the following with Strict:

  • MASTER
  • ORIGX (unless defined)
  • SCALE (unless defined)

The following should only be generated if a DatabaseReference is present:

  • DBREF
  • SEQADV
  • SEQRES

The following should only be generated in medium and up:

  • TER full line (copies the data from the last ATOM)